Vitas-M small molecule compound
methyl 4-[(E)-(2-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoate
Catalog ID
STL171265
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H19N5O3S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S/c1-14-22-24-20(25(14)17-6-4-3-5-7-17)29-13-18(26)23-21-12-15-8-10-16(11-9-15)19(27)28-2/h3-12H,13H2,1-2H3,(H,23,26)/b21-12+InChIKey
FVJZJTHCVVJLJF-CIAFOILYSA-NSynonyms
351210-42-9351210429
CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccccc1)C
InChI=1SC20H19N5O3Sc114222420(25(14)176435717)291318(26)2321121581016(11915)19(27)282h312H13H212H3(H2326)b2112+
METHYL4((E)((2((5METHYL4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
methyl4((E)(2(((5methyl4phenyl4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoate
METHYL4(2(((5METHYL4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)CARBOHYDRAZONOYL)BENZOATE
MFCD01583664
ZINC000002737105
ZINC33384701
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